ethane;2-(methoxymethyl)-4-[6-(3-methylbutan-2-yl)-3-pyridinyl]morpholine;2-(6-methyl-3-pyridinyl)butan-2-ol;5-(oxan-4-yl)-2-propan-2-ylpyridine

C41H66N4O4 — CID 156651387

IUPACethane;2-(methoxymethyl)-4-[6-(3-methylbutan-2-yl)-3-pyridinyl]morpholine;2-(6-methyl-3-pyridinyl)butan-2-ol;5-(oxan-4-yl)-2-propan-2-ylpyridine
SMILESCC.CC(C)c1ccc(C2CCOCC2)cn1.CCC(C)(O)c1ccc(C)nc1.COCC1CN(c2ccc(C(C)C(C)C)nc2)CCO1
InChIInChI=1S/C16H26N2O2.C13H19NO.C10H15NO.C2H6/c1-12(2)13(3)16-6-5-14(9-17-16)18-7-8-20-15(10-18)11-19-4;1-10(2)13-4-3-12(9-14-13)11-5-7-15-8-6-11;1-4-10(3,12)9-6-5-8(2)11-7-9;1-2/h5-6,9,12-13,15H,7-8,10-11H2,1-4H3;3-4,9-11H,5-8H2,1-2H3;5-7,12H,4H2,1-3H3;1-2H3
InChIKeyFSXNQRXNDPWYGC-UHFFFAOYSA-N
MW679.00 g/mol
LogP8.83
Rot. Bonds9

About ethane;2-(methoxymethyl)-4-[6-(3-methylbutan-2-yl)-3-pyridinyl]morpholine;2-(6-methyl-3-pyridinyl)butan-2-ol;5-(oxan-4-yl)-2-propan-2-ylpyridine

ethane;2-(methoxymethyl)-4-[6-(3-methylbutan-2-yl)-3-pyridinyl]morpholine;2-(6-methyl-3-pyridinyl)butan-2-ol;5-(oxan-4-yl)-2-propan-2-ylpyridine (PubChem CID 156651387) has the molecular formula C41H66N4O4 and a molecular weight of 679.00 g/mol. Its IUPAC name is ethane;2-(methoxymethyl)-4-[6-(3-methylbutan-2-yl)-3-pyridinyl]morpholine;2-(6-methyl-3-pyridinyl)butan-2-ol;5-(oxan-4-yl)-2-propan-2-ylpyridine.

Molecular Properties

Compound Nameethane;2-(methoxymethyl)-4-[6-(3-methylbutan-2-yl)-3-pyridinyl]morpholine;2-(6-methyl-3-pyridinyl)butan-2-ol;5-(oxan-4-yl)-2-propan-2-ylpyridine
PubChem CID156651387
Molecular FormulaC41H66N4O4
Molecular Weight679.00 g/mol
Exact Mass678.51
IUPAC Nameethane;2-(methoxymethyl)-4-[6-(3-methylbutan-2-yl)-3-pyridinyl]morpholine;2-(6-methyl-3-pyridinyl)butan-2-ol;5-(oxan-4-yl)-2-propan-2-ylpyridine
SMILESCC.CC(C)c1ccc(C2CCOCC2)cn1.CCC(C)(O)c1ccc(C)nc1.COCC1CN(c2ccc(C(C)C(C)C)nc2)CCO1
InChIInChI=1S/C16H26N2O2.C13H19NO.C10H15NO.C2H6/c1-12(2)13(3)16-6-5-14(9-17-16)18-7-8-20-15(10-18)11-19-4;1-10(2)13-4-3-12(9-14-13)11-5-7-15-8-6-11;1-4-10(3,12)9-6-5-8(2)11-7-9;1-2/h5-6,9,12-13,15H,7-8,10-11H2,1-4H3;3-4,9-11H,5-8H2,1-2H3;5-7,12H,4H2,1-3H3;1-2H3
InChIKeyFSXNQRXNDPWYGC-UHFFFAOYSA-N
XLogP8.83
TPSA89.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.00
LogP ≤ 58.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethane;2-(methoxymethyl)-4-[6-(3-methylbutan-2-yl)-3-pyridinyl]morpholine;2-(6-methyl-3-pyridinyl)butan-2-ol;5-(oxan-4-yl)-2-propan-2-ylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Morpholino-2-phenyl-1,1-di(pyridin-3-yl)ethanol
CID 11710246
2-Morpholino-1,1-di(pyridin-3-yl)hexan-1-ol
CID 11588169
2-Morpholino-1,1-di(pyridin-3-yl)octan-1-ol
CID 11646379
2-Morpholino-3-phenyl-1,1-di(pyridin-3-yl)propan-1-ol
CID 11653686
3-Methyl-2-morpholino-1,1-di(pyridin-3-yl)butan-1-ol
CID 11702625
6-Methoxycinchonan-9-ol
CID 102439
(R)-(1,3-dimethylazetidin-3-yl)-[5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
CID 157025852
(1R,2S)-2-morpholin-4-yl-2-pyridin-2-yl-1-[2-[(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]-3-pyridinyl]ethanol
CID 88891985
(S)-[4-fluoro-3-[N-methyl-C-[3-(methylideneamino)-5-morpholin-4-yl-2-pyridinyl]carbonimidoyl]phenyl]-(3-methylpyrazin-2-yl)methanol
CID 135268565
6,6-Difluoro-2,2-dimethyl-3-pyridin-2-ylheptan-3-ol;2,2-dimethyl-3-pyridin-2-ylheptan-3-ol;2,2-dimethyl-3-pyridin-2-ylhept-6-en-3-ol;4-ethoxy-2,2-dimethyl-3-pyridin-2-ylpentan-3-ol;1-(3-ethylphenyl)-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol
CID 160206394
(4-Morpholin-4-yl-3-pyridinyl)-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanol
CID 169872988
Ethoxycinchonan-9-ol
CID 129686859

Frequently Asked Questions

What is the IUPAC name of ethane;2-(methoxymethyl)-4-[6-(3-methylbutan-2-yl)-3-pyridinyl]morpholine;2-(6-methyl-3-pyridinyl)butan-2-ol;5-(oxan-4-yl)-2-propan-2-ylpyridine?
The IUPAC name of ethane;2-(methoxymethyl)-4-[6-(3-methylbutan-2-yl)-3-pyridinyl]morpholine;2-(6-methyl-3-pyridinyl)butan-2-ol;5-(oxan-4-yl)-2-propan-2-ylpyridine (CID 156651387) is ethane;2-(methoxymethyl)-4-[6-(3-methylbutan-2-yl)-3-pyridinyl]morpholine;2-(6-methyl-3-pyridinyl)butan-2-ol;5-(oxan-4-yl)-2-propan-2-ylpyridine.
What is the SMILES notation for ethane;2-(methoxymethyl)-4-[6-(3-methylbutan-2-yl)-3-pyridinyl]morpholine;2-(6-methyl-3-pyridinyl)butan-2-ol;5-(oxan-4-yl)-2-propan-2-ylpyridine?
The canonical SMILES for ethane;2-(methoxymethyl)-4-[6-(3-methylbutan-2-yl)-3-pyridinyl]morpholine;2-(6-methyl-3-pyridinyl)butan-2-ol;5-(oxan-4-yl)-2-propan-2-ylpyridine is CC.CC(C)c1ccc(C2CCOCC2)cn1.CCC(C)(O)c1ccc(C)nc1.COCC1CN(c2ccc(C(C)C(C)C)nc2)CCO1.
What is the InChIKey of ethane;2-(methoxymethyl)-4-[6-(3-methylbutan-2-yl)-3-pyridinyl]morpholine;2-(6-methyl-3-pyridinyl)butan-2-ol;5-(oxan-4-yl)-2-propan-2-ylpyridine?
The InChIKey is FSXNQRXNDPWYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.C13H19NO.C10H15NO.C2H6/c1-12(2)13(3)16-6-5-14(9-17-16)18-7-8-20-15(10-18)11-19-4;1-10(2)13-4-3-12(9-14-13)11-5-7-15-8-6-11;1-4-10(3,12)9-6-5-8(2)11-7-9;1-2/h5-6,9,12-13,15H,7-8,10-11H2,1-4H3;3-4,9-11H,5-8H2,1-2H3;5-7,12H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;2-(methoxymethyl)-4-[6-(3-methylbutan-2-yl)-3-pyridinyl]morpholine;2-(6-methyl-3-pyridinyl)butan-2-ol;5-(oxan-4-yl)-2-propan-2-ylpyridine?
ethane;2-(methoxymethyl)-4-[6-(3-methylbutan-2-yl)-3-pyridinyl]morpholine;2-(6-methyl-3-pyridinyl)butan-2-ol;5-(oxan-4-yl)-2-propan-2-ylpyridine has a molecular weight of 679.00 g/mol, XLogP of 8.83, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(methoxymethyl)-4-[6-(3-methylbutan-2-yl)-3-pyridinyl]morpholine;2-(6-methyl-3-pyridinyl)butan-2-ol;5-(oxan-4-yl)-2-propan-2-ylpyridine is sourced from PubChem (CID 156651387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).